2-(cyclopentylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyridine-4-carboxamide

C20H24N6O — CID 167863519

IUPAC2-(cyclopentylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyridine-4-carboxamide
SMILESCC(C)n1ncc2cc(NC(=O)c3ccnc(NC4CCCC4)c3)cnc21
InChIInChI=1S/C20H24N6O/c1-13(2)26-19-15(11-23-26)9-17(12-22-19)25-20(27)14-7-8-21-18(10-14)24-16-5-3-4-6-16/h7-13,16H,3-6H2,1-2H3,(H,21,24)(H,25,27)
InChIKeyZQEAQMANFNUJIM-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.01
Rot. Bonds5

About 2-(cyclopentylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyridine-4-carboxamide

2-(cyclopentylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyridine-4-carboxamide (PubChem CID 167863519) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-(cyclopentylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopentylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyridine-4-carboxamide
PubChem CID167863519
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name2-(cyclopentylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyridine-4-carboxamide
SMILESCC(C)n1ncc2cc(NC(=O)c3ccnc(NC4CCCC4)c3)cnc21
InChIInChI=1S/C20H24N6O/c1-13(2)26-19-15(11-23-26)9-17(12-22-19)25-20(27)14-7-8-21-18(10-14)24-16-5-3-4-6-16/h7-13,16H,3-6H2,1-2H3,(H,21,24)(H,25,27)
InChIKeyZQEAQMANFNUJIM-UHFFFAOYSA-N
XLogP4.01
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyridine-2-carboxamide
CID 17398797
1-[(1R,2R)-2-hydroxycyclohexyl]-3-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)urea
CID 94816028
2-amino-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)cyclopentane-1-carboxamide
CID 64822861
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-2-carboxamide
CID 61258312
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide
CID 43616552
2-(cyclobutylamino)-N-(1,2-thiazol-4-yl)pyridine-4-carboxamide
CID 166254965
3-(benzenesulfonamido)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 26956441
N-(4-bromophenyl)-2-(cyclohexylamino)pyridine-4-carboxamide
CID 109166358
5-cyclopropyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide
CID 24653896
N-(6-piperidin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24601888
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide
CID 61258310
1-(1-cyclopropylethyl)-N-(2-methylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 75467643

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(cyclopentylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyridine-4-carboxamide (CID 167863519) is 2-(cyclopentylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(cyclopentylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(cyclopentylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyridine-4-carboxamide is CC(C)n1ncc2cc(NC(=O)c3ccnc(NC4CCCC4)c3)cnc21.
What is the InChIKey of 2-(cyclopentylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyridine-4-carboxamide?
The InChIKey is ZQEAQMANFNUJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-13(2)26-19-15(11-23-26)9-17(12-22-19)25-20(27)14-7-8-21-18(10-14)24-16-5-3-4-6-16/h7-13,16H,3-6H2,1-2H3,(H,21,24)(H,25,27).
What are the key properties of 2-(cyclopentylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyridine-4-carboxamide?
2-(cyclopentylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyridine-4-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 167863519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).